SCHEMBL30133994

SCHEMBL30133994

CCO[C@@H]1CCNC[C@H]1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 1/20 0.46
HTR2C P28335 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
HTR1A P08908 1/20 0.38
MEN1 O00255 1/20 0.38
HTR2A P28223 1/20 0.38
IDH2 P48735 1/20 0.38
TP53 P04637 1/20 0.36
HTR6 P50406 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30133840 1.00 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2CL3MBTL1
SCHEMBL30134207 0.95 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR2CL3MBTL1
SCHEMBL23526975 0.86 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
SCHEMBL23526977 0.86 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
Hydrochloric Acid SCHEMBL31133921 0.85 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
SCHEMBL23526868 0.84 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
SCHEMBL23564390 0.84 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
SCHEMBL23526870 0.84 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
Hydrochloric Acid SCHEMBL23527151 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR2CKMT2A
Hydrochloric Acid SCHEMBL30900969 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3HTR2CKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 CN disclosed
US-20240300951-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-09-12 US disclosed
US-20240270751-A1 Pyrazolopyridinone Compounds BEIGENE LTD. (KY) 2024-08-15 US disclosed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 EP disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN disclosed
WO-2023011456-A1 PYRAZOLOPYRIDINONE COMPOUNDS BEIGENE, LTD. (KY) 2023-02-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240300951-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK SLC6A2 4870/4885SLC6A4 4857/4885SLC6A3 4882/4885
US-20240270751-A1 Pyrazolopyridinone Compounds NFATC1, CD4, PBK SLC6A2 4870/4885SLC6A4 4857/4885SLC6A3 4882/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.